COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187943
Chemical Name: 5-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C)C(=O)C(=Cc2ccc(c(c2)Br)OCc2cccc(c2)[N+](=O)[O-])C(=O)N1C

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Molecular Weight: 490.33
Empirical Formula: C20H16BrN3O5S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 3.23
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 127
Number of rings: 3

     

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